4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole

C18H24FNO — CID 142195630

IUPAC4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole
SMILESCC1=CC=C(c2oc(C)nc2C2CCCCC2)CC1(C)F
InChIInChI=1S/C18H24FNO/c1-12-9-10-15(11-18(12,3)19)17-16(20-13(2)21-17)14-7-5-4-6-8-14/h9-10,14H,4-8,11H2,1-3H3
InChIKeyPVUXUIKTPVCJHP-UHFFFAOYSA-N
MW289.39 g/mol
LogP5.49
Rot. Bonds2

About 4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole

4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole (PubChem CID 142195630) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole
PubChem CID142195630
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole
SMILESCC1=CC=C(c2oc(C)nc2C2CCCCC2)CC1(C)F
InChIInChI=1S/C18H24FNO/c1-12-9-10-15(11-18(12,3)19)17-16(20-13(2)21-17)14-7-5-4-6-8-14/h9-10,14H,4-8,11H2,1-3H3
InChIKeyPVUXUIKTPVCJHP-UHFFFAOYSA-N
XLogP5.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.39
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Cyclohexyl-5-(3-fluorophenyl)-2-methyloxazole
CID 10901338
4-Cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole
CID 11129474
4-Cyclohexyl-5-(2-fluoro-3-methylphenyl)-2-methyl-1,3-oxazole
CID 18738352
4-Cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole
CID 18738353
4-Cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole
CID 59907286
O-[[6-methyl-4-[4-methyl-2-[[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-oxazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl]hydroxylamine
CID 68023441
2-(5-Ethyl-7-fluorocyclohepta-1,3,6-trien-1-yl)-7-methyl-5-(trifluoromethyl)-8,9-dihydrocycloocta[d][1,3]oxazole
CID 123637538
4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole
CID 163855604
5-[(E)-2-(4-tert-butylcyclohexen-1-yl)ethenyl]-2,4-dicyclopropyl-1,3-oxazole
CID 178339217
4-benzyl-2-[(Z)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole
CID 10854843
4-Cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole
CID 11781170
4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole
CID 15324296

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole (CID 142195630) is 4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole is CC1=CC=C(c2oc(C)nc2C2CCCCC2)CC1(C)F.
What is the InChIKey of 4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole?
The InChIKey is PVUXUIKTPVCJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-12-9-10-15(11-18(12,3)19)17-16(20-13(2)21-17)14-7-5-4-6-8-14/h9-10,14H,4-8,11H2,1-3H3.
What are the key properties of 4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole?
4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole has a molecular weight of 289.39 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-(5-fluoro-4,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 142195630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).